[(2S)-1,4,7,10-tetraoxacyclododec-2-yl]methanol

Base Information

• Chemical Name: [(2S)-1,4,7,10-tetraoxacyclododec-2-yl]methanol
• CAS No.: 75507-26-5
• Molecular Formula: C9H18O5
• Molecular Weight: 206.239
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID00996979
• Wikidata: Q82988917
• Mol file: 75507-26-5.mol

Synonyms:SCHEMBL9580587;DTXSID00996979

Chemical Property of [(2S)-1,4,7,10-tetraoxacyclododec-2-yl]methanol

Chemical Property:

• Appearance/Colour: clear colourless viscous liquid
• Vapor Pressure: 4.36E-06mmHg at 25°C
• Refractive Index: n20/D 1.480(lit.)
• Boiling Point: 343.9 °C at 760 mmHg
• PKA: 14.17±0.10(Predicted)
• Flash Point: 161.8 °C
• PSA: 57.15000
• Density: 1.054 g/cm³
• LogP: -0.57270
• Water Solubility.: Miscible in water. Soluble in non-polar solvents. Insoluble in water.
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 206.11542367
• Heavy Atom Count: 14
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

1,4,7,10-Tetraoxacyclododecan-2-methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1COCCOC(COCCO1)CO
• Isomeric SMILES: C1COCCO[C@H](COCCO1)CO
• Uses: Ethylene oxide is important or critical to the production of detergents, thickeners, solvents, plastics, and various organic chemicals such as ethylene glycol, ethanolamines, simple and complex glycols, polyglycol ethers and other compounds. 2-Hydroxymethyl-12-crown-4 can be used:To prepare an ester of lasalocid with crown ether to study its complex formation with monovalent cations.To prepare hydrogel adsorbents for potential usage in the recovery of lithium-ions from seawater.As a starting material in the synthesis of metal-free phthalocyanines and metallophthalocyanines.

Technology Process of [(2S)-1,4,7,10-tetraoxacyclododec-2-yl]methanol

There total 5 articles about [(2S)-1,4,7,10-tetraoxacyclododec-2-yl]methanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

<(Benzyloxy)methyl>-12-crown-4 (75507-20-9) → 2-(hydroxymethyl)-12-crown-4 (75507-26-5)

Guidance literature:

With hydrogen; toluene-4-sulfonic acid; palladium on activated charcoal; In 1,4-dioxane; for 3h; Ambient temperature;

DOI:10.1021/jo01314a030

Reference yield: 90.0%

<(Allyloxy)-methyl>-12-crown-4 (90655-78-0) → 2-(hydroxymethyl)-12-crown-4 (75507-26-5)

Guidance literature:

With perchloric acid; palladium on activated charcoal; In ethanol; at 80 ℃; for 24h;

DOI:10.1055/s-1984-30737

Reference yield:

2,2'-[1,2-ethanediylbis(oxy)]bisethanol (112-27-6) → 2-(hydroxymethyl)-12-crown-4 (75507-26-5)

Guidance literature:

Multi-step reaction with 2 steps

2: 97 percent / p-TsOH, H₂ / Pd-carbon / dioxane / 3 h / Ambient temperature

With hydrogen; toluene-4-sulfonic acid; palladium on activated charcoal; In 1,4-dioxane;

DOI:10.1021/jo01314a030

upstream raw materials:

<(Allyloxy)-methyl>-12-crown-4

<(Benzyloxy)methyl>-12-crown-4

1,2-bis(2-chloroethoxy)ethane

triethylene glycol di-(p-toluenesulfonate)

Downstream raw materials:

2-(7-benzyloxy-2,5-dioxaheptyl)-1,4,7,10-tetraoxacyclododecane

4-(12-crown-4-methoxymethyl)benzoic acid methyl ester

5-Decyl-2-(1,4,7,10-tetraoxa-cyclododec-2-ylmethoxy)-benzoic acid methyl ester

5-Decyl-2-(1,4,7,10-tetraoxa-cyclododec-2-ylmethoxy)-benzoic acid